Geometry & MOs

Info

ID:	436093
PubChem CID:	135193792
Reduced:	FO3H11C18 (1)
Stoich.:	AB3C11D18 (1)
Weight, g/mol:	290.094294
ΔH_f, kcal/mol:	-90.68
Dipole, Da:	2.93
IP(EA), eV:	-8.89(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-methoxy-2-methylbenzo[a]xanthen-12-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC3=C(C2=O)C4=C(C=CC(=C4)F)C=C3

DOS

IR

Vibrations